Month: December 2022

Moldovan, Rares-Petru published the artcileDevelopment of a High-Affinity PET Radioligand for Imaging Cannabinoid Subtype 2 Receptor, SDS of cas: 1589-47-5, the publication is Journal of Medicinal Chemistry (2016), 59(17), 7840-7855, database is CAplus and MEDLINE.

Cannabinoid receptors type 2 (CB₂) represent a target with increasing importance for neuroimaging due to its upregulation under various pathol. conditions. Encouraged by preliminary results obtained with [¹¹C](Z)-N-(3-(2-methoxyethyl)-4,5-dimethylthiazol-2(3H)-ylidene)-2,2,3,3-tetramethyl-cyclopropanecarboxamide ([¹¹C]A-836339, [¹¹C]1) in a mouse model of acute neuroinflammation (induced by lipopolysaccharide, LPS), we designed a library of fluorinated analogs aiming for an [¹⁸F]-labeled radiotracer with improved CB₂ binding affinity and selectivity. Compound (Z)-N-(3-(4-fluorobutyl)-4,5-dimethylthiazol-2(3H)-ylidene)-2,2,3,3-tetramethyl-cyclopropanecarboxamide (29) was selected as the ligand with the highest CB₂ affinity (K_i = 0.39 nM) and selectivity over those of CB₁ (factor of 1000). [¹⁸F]29 was prepared starting from the bromo precursor (53). Specific binding was shown in vitro, whereas fast metabolism was observed in vivo in CD-1 mice. Animal PET revealed a brain uptake comparable to that of [¹¹C]1. In the LPS-treated mice, a 20-30% higher uptake in brain was found in comparison to that in nontreated mice (n = 3, P < 0.05).

Journal of Medicinal Chemistry published new progress about 1589-47-5. 1589-47-5 belongs to ethers-buliding-blocks, auxiliary class Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-Methoxypropan-1-ol, and the molecular formula is C4H10O2, SDS of cas: 1589-47-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Frein, Jeffrey D. published the artcileNew Sources of Chemical Diversity Inspired by Biosynthesis: Rational Design of a Potent Epothilone Analog, Safety of (+)-B-Methoxydiisopinocampheylborane, the publication is Organic Letters (2009), 11(15), 3186-3189, database is CAplus and MEDLINE.

A concise total synthesis of (14S)-14-methoxyepothilone D (I) was accomplished. (14S)-14-Methoxyepothilone D represents a conceptually novel example of polyketide analog design based on an alternative biogenetic pattern of extender units. The significant biol. activity observed for this compound provides a foundation to support studies designed to prepare derivatives of this type through fermentation of genetically engineered organisms expressing the epothilone PKS gene cluster.

Organic Letters published new progress about 99438-28-5. 99438-28-5 belongs to ethers-buliding-blocks, auxiliary class Chiral,Aliphatic cyclic hydrocarbon, name is (+)-B-Methoxydiisopinocampheylborane, and the molecular formula is C21H37BO, Safety of (+)-B-Methoxydiisopinocampheylborane.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Saini, Bhavna published the artcileNickel nano-particles confined in ZSM-5 framework as an efficient catalyst for selective hydrodeoxygenation of lignin-derived monomers, Category: ethers-buliding-blocks, the publication is Biomass and Bioenergy (2022), 106350, database is CAplus.

The present study offers an efficient, economical, non-noble metal based catalytic process for the selective HDO of lignin-derived compounds HDO of major lignin constituting monomers like vanillin, syringaldehyde, guaiacol, and cresol were studied over Ni(2.5)@ZSM-5 catalysts. Complete conversion of vanillin and syringaldehyde was achieved with >99% selectivity towards creosol and 4-methylsyringol resp., while the reactions with guaiacol and cresol did not show any conversion. The catalyst is highly selective towards the conversion of the aldehydic group to Me group. Potential of the catalyst to be used at more realistic conditions was ascertained by evaluating the catalyst with simulated feed prepared by mixing lignin monomers and impurities like S, Na, and K. The catalyst showed excellent results with simulated feed similar to the pure model compounds Various characterization techniques like XRD, FTIR, NH3-TPD, H₂-TPR, UV-DRS, TEM, TGA, etc. were employed to understand the physico-chem. properties of the catalytic material. The nature and location of Ni species in the catalyst were determined as well as the most plausible active center for the HDO reaction was identified. The study revealed that active metal and acid site in close proximity exhibits a synergistic effect which leads to superior catalytic activity. Effect of support acidity was studied in more detail by evaluating the catalysts with variable acidity. The meritorious properties of the catalyst like exceptionally high selectivity, good stability, tolerance for impurities, excellent recyclability as well as economical catalyst formulation make it suitable to be used for the processing of real feeds at realistic conditions.

Biomass and Bioenergy published new progress about 134-96-3. 134-96-3 belongs to ethers-buliding-blocks, auxiliary class Immunology/Inflammation,COX,Natural product, name is 4-Hydroxy-3,5-dimethoxybenzaldehyde, and the molecular formula is C9H10O4, Category: ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Sakakibara, Shunsaku published the artcileBiological activities of fluorinated nonionic surfactants, Recommanded Product: 2-(2,2,2-Trifluoroethoxy)ethanol, the publication is Nagoya Kogyo Gijutsu Shikensho Hokoku (1991), 40(1), 20-8, database is CAplus.

F(C₂F₄)₃CH₂O[C₂H₄O]_mH (m = 1-19), F(C₂F₄)_lCH₂CH₂O[C₂H₄O]_mH (l = 4, 5; m = 9, 10), H(C₂F₄)_lCH₂O[C₂H₄O]_mH (l = 2-4; m = 1-10), and F(C₂F₄)_lCONHCH₂CH₂NH_2-n[C₂H₄OH]_n (l = 2, 6; n = 0-2) were tested for their biocidal activities. Several surfactants had high insecticidal activity, especially against adult houseflies and carmine mites. These effective compounds showed low surface tension and high HLB values. Their effectiveness was ascribed to suffocation of insects by covering the insect cuticle. There was no relationship between the types of surfactants and insecticidal activity. Few compounds had low herbicidal and fungicidal activities.

Nagoya Kogyo Gijutsu Shikensho Hokoku published new progress about 2358-54-5. 2358-54-5 belongs to ethers-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-(2,2,2-Trifluoroethoxy)ethanol, and the molecular formula is C4H7F3O2, Recommanded Product: 2-(2,2,2-Trifluoroethoxy)ethanol.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Brey, Mary L. published the artcilePreparation and properties of some vinyl and glycidyl fluoro ethers, SDS of cas: 2358-54-5, the publication is Journal of the American Chemical Society (1957), 6533-6, database is CAplus.

KOH (94 g.) in 500 cc. (CH₂OH)₂ in an autoclave chilled with Dry Ice-Me₂CO, treated with approx. 2.5 moles of the appropriate 1,1-difluoronolefin, rocked at room temperature overnight, poured into iced H₂O, and the organic layer washed, dried, and distilled yielded the corresponding glycol monoether; in this manner were prepared the following ROCH₂CH₂OH (R, % yield, b.p./mm., n²⁵_D, d₂₅, and MR_D given): CHClFCF₂, 54, 114-18°/100, 1.3795/21°, -, -; CHCl₂CF₂ (I), 30, 62-3°/2, 1.4245, 1.4905, 33.42; CF₃CHFCF₂, 25, 72-4°/40, 1.3192, 1.5227, 27.57. As a by-product of I was also obtained 18% (CHCl₂CH₂OCH₂)₂, b_2.2 90°, n²⁵_D5 1.4194, d₂₅ 1.5786, MR_D 52.50, hydrolyzed with concentrated H₂SO₄ to 31% (CHCl₂CO₂CH₂)₂, b₃ 148-50°, n²⁵_D 1.4840, d₂₅ 1.5386, MR_D 52.79. KOH (5.0 g.) in 1.5 moles of the appropriate fluoro alc. treated in an autoclave at -78° with 44 g. ethylene oxide, rocked 4 hrs. at 70°, and worked up gave the corresponding glycol monoether; in this manner were prepared the following ROCH₂CH₂OH (same data as above given): CF₃CH₂, 50, 84°/80, 1.3502, 1.2902, 24.04; C₂F₅CH₂, 32, 87°/84, 1.3370, 1.3806, 29.24; C₃F₇CH₂, 62, 91-2°/54, 1.3300/28°, 1.4965/28°, 33.90; CF₃CMe₂, 35, 92°/77, 1.3749/22°, 1.1931/22°, 33.02. The appropriate fluoroalkyl hydroxyethyl ether (about 0.25 mole) treated with stirring with 60 g. PCl₅ in portions, refluxed 20 min., cooled, poured into iced H₂O, washed, dried, and fractionated yielded the corresponding compounds RO(CH₂)₂Cl (II) consistently in 27% yield; when the reaction mixture was diluted with about 100 cc. CHCl₃ the yields were 45-67%. In this manner were prepared the following II (same data given): CHClFCF₂ (III), 27, 85°/100, 1.3882, 1.4471, -; CHCl₂CF₂ (IV), 27, 86-7°/33, 1.4270, 1.4833, 36.95; CF₃CHFCF₂, 27, 46°/37, 1.3349, 1.4749, 32.33; CF₃CH₂, 53, 114-15°/760, 1.3590/27°, 1.3034/27°, 27.46; C₃F₇CH₂, 67, 75°/80, 1.3381, 1.4673, 37.32; CF₃CMe₂, 45, 135°/760, 1.3784, 1.2102, 36.34; C₂F₅CH₂, 49, 120-1°/760, 1.3448/26°, 1.3792/26°, 32.72. Hydrolysis of III yielded 34% CH₂ClCH₂O₂CHClF, b₄₇ 106°, b₄₅ 105°, n²³_D 1.4369, d₂₅ 1.4256, MR_D 32.20; IV gave similarly 36% CHCl₂CO₂(CH₂)₂Cl, b₇₆₀ 207-11°, n²⁵_D 1.4716, d₂₅ 1.4544, MR_D 36.85. The appropriate II (0.20 mole) treated dropwise with stirring and heating with 18 g. KOH in 120 cc. PrOH, the distillate poured into H₂O, and the organic layer washed, dried, and distilled yielded the corresponding compounds ROCH:CH₂ (same data given): CHClFCF₂, 52, 71-3°/760, 1.3531, 1.2408, -; CF₃CH₂, 32, 42-8°/760, 1.3180/27°, 1.118/ 27°, -; C₂F₅CH₂, 21, 54-60°/760, 1.3131/27°, 1.227/27°, 27.92; C₃F₇CH₂, 18, 78-82°/760, 1.3118/26°, 1.343/26°, 31.08. The appropriate fluoro alc. (0.50 mole) and 46 g. epichlorohydrin added to 25 g. NaOH in 300 cc. cold H₂O kept at room temperature overnight, and the organic layer worked up gave mixtures of the epoxy ether and the diether. CF₃CH₂OH gave in this manner 31% CF₃CH₂OCH₂CH.CH₂.O, b₇₆₀ 132-5°, n²⁵_D 1.3560, d₂₅ 1.2666, MR_D 26.93, and 19% (CF₃CH₂OCH₂)₂CHOH, b₁₆ 86°, n²⁵_D 1.3528, d₂₅ 1.3890, MR_D 39.97. C₂F₅CH₂OH gave similarly 19% C₂F₅CH₂OCH₂CH.CH₂.O, b_86-84 81-79°, n²⁵_D 1.3419, d₂₅ 1.3534, MR_D 32.08. C₃F₇CH₂OH gave 23% C₃F₇CH₂OCH₂CH.CH₂.O, b₄₉ 79°, n²⁵_D 1.3350, d₂₅ 1.4429, and 24% (C₃F₇CH₂OCH₂)₂CHOH, b₁₅ 112-15°, n²⁵_D 1.3338, d₂₅ 1.5569, MR_D 60.40. CF₃CH₂OH (100 g.), 185 g. epichlorohydrin, and 2 cc. pyridine heated 12 hrs. with stirring at 80-90° gave 50% CF₃CH₂OCH₂CH(OH)CH₂Cl, b₁₉ 85-6°, n²⁵_D 1.3951, d₂₅ 1.3716, MR_D 1.3716.

Journal of the American Chemical Society published new progress about 2358-54-5. 2358-54-5 belongs to ethers-buliding-blocks, auxiliary class Trifluoromethyl,Fluoride,Aliphatic hydrocarbon chain,Alcohol,Ether, name is 2-(2,2,2-Trifluoroethoxy)ethanol, and the molecular formula is C4H7F3O2, SDS of cas: 2358-54-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Khoshkhoo, Mahdi Samadi published the artcileContribution of chromophores with different numbers of repeat units to overall emission of MEH-PPV: An experimental and simulation study, Formula: C15H24O2, the publication is Polymer (2013), 54(15), 4017-4029, database is CAplus.

In the present study, poly[1-methoxy-4-(2′-ethylhexyloxy)-p-phenylenevinylene] (MEH-PPV) was synthesized, modified and characterized by FTIR, NMR, GPC, UV/vis absorption, fluorescence, and mass spectroscopy. The effective conjugation length was controlled by introducing phys. and chem. defects into the chain backbone. It was observed that absorption and emission spectra of polymer chains were blue-shifted by importing structural deficiencies. Chem. defects were introduced by controlled oxidation of vinylene double bonds using m-chloroperbenzoic acid and phys. defects were induced by tuning polymer-solvent interactions (varying solvent quality). It was shown for the first time that the recorded fluorescence spectrum of MEH-PPV can be reconstructed using the emission data of oligomeric constituents and the contribution of chromophores with different numbers of repeat units to overall emission can be quantified. The effect of excitation energy on the emission pattern was also investigated. It was shown that the emission contribution of shorter chromophores to overall emission is detectable using high excitation energies. Finally, atomistic mol. dynamic (MD) simulation was used to investigate the polymer chain conformation in methanol and chloroform. The results obtained from torsional angles studies confirmed the presence of a great number of induced phys. defects in the backbone and, hence, a collapsed conformation of polymer chains in methanol. Evaluations of phys. defects along the chain proposed the average number of coplanar Ph rings of ∼5 and 14 for polymer chains in methanol and chloroform resp.

Polymer published new progress about 146370-51-6. 146370-51-6 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 1-((2-Ethylhexyl)oxy)-4-methoxybenzene, and the molecular formula is C15H24O2, Formula: C15H24O2.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Sun, Yue published the artcilePolycyclic Aromatic Carbon: A Key Fraction Determining the Light Absorption Properties of Methanol-Soluble Brown Carbon of Open Biomass Burning Aerosols, Related Products of ethers-buliding-blocks, the publication is Environmental Science & Technology (2021), 55(23), 15724-15733, database is CAplus and MEDLINE.

The composition and radiative forcing of light-absorbing brown carbon (BrC) aerosol remain poorly understood. Polycyclic aromatics (PAs) are BrC chromophores with fused benzene rings. Understanding the occurrence and significance of PAs in BrC is challenging due to a lack of standards for many PAs. In this study, we quantified polycyclic aromatic carbon(PAC), defined as the carbon of fused benzene rings, based on mol. markers (benzene polycarboxylic acids, BPCAs). Open biomass burning aerosols (OBBAs) of 22 rainforest plants were successively extracted with water and methanol for the anal. of water- and methanol-soluble PAC (WPAC and MPAC, resp.). PAC is an important fraction of water- and methanol-soluble organic carbon (WSOC and MSOC, resp.). WPAC/WSOC ranged from 0.03 to 0.18, and MPAC/MSOC was even higher (range: 0.16-0.80). The priority polycyclic aromatic hydrocarbons contributed less than 1% of MPAC. The mass absorption efficiency (MAE) of MSOC showed a strong linear correlation with MPAC/MSOC (r = 0.60-0.95, p < 0.01). The absorption Ångström exponent (AAE) of methanol-soluble BrC showed a strong linear correlation with the degree of aromatic condensation of MPAC, which was described by the average number of carboxylic groups of BPCA (r = -0.79, p < 0.01). This result suggested that PAC was a key fraction determining the light absorption properties (i.e., light absorptivity and wavelength dependence) of methanol-soluble BrC in OBBAs.

Environmental Science & Technology published new progress about 91-16-7. 91-16-7 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether,Inhibitor,Inhibitor,Inhibitor, name is 1,2-Dimethoxybenzene, and the molecular formula is C11H10O, Related Products of ethers-buliding-blocks.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Chen, Yefeng published the artcileZ-scheme g-C3N4/Fe₂O₃ for efficient photo-oxidation of benzylamine under mild conditions, Name: (2-Methoxyphenyl)methanamine, the publication is Semiconductor Science and Technology (2021), 36(7), 075004, database is CAplus.

As an important intermediate, imine is widely used in industrial chem. The photocatalytic oxidation of amines to form imines is a green and economical method. But it remains a challenge for the efficient transformation under mild conditions. Herein, a Z-scheme carbon nitride (CM)-Fe₂O₃ heterojunction photocatalyst was synthesized by in-situ preparation of Fe₂O₃ nanoparticles on two-dimensional CM nanosheets. The as-prepared catalyst exhibited efficient photocatalysis activity in selective oxidation of benzylamine to N-benzylidene benzylamine. Under ambient air and room temperature, the selectivity and conversion rate both can reach 99.9%, and the corresponding turnover frequency value reaches up to 9.99 mmol g^-1 h^-1, superior to the most of heterogeneous photocatalysts reported in previous literatures. The excellent catalytic activity of the modified CM material may be due to the enhanced absorption of visible light and the improved photogenerated carrier separation and migration rate, and the Z-scheme mechanism also retains the strong oxidation and reduction ability of the composite material. This work will provide a promising and practical method to promote the photocatalytic conversion of solar-driven organics

Semiconductor Science and Technology published new progress about 6850-57-3. 6850-57-3 belongs to ethers-buliding-blocks, auxiliary class Amine,Benzene,Ether, name is (2-Methoxyphenyl)methanamine, and the molecular formula is C8H11NO, Name: (2-Methoxyphenyl)methanamine.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Mino, Takashi published the artcilePalladium-catalyzed asymmetric allylic alkylation using (R)-2-(methoxymethyl)pyrrolidine-derived aminophosphine ligands, Application of 2-Isopropylanisole, the publication is Tetrahedron: Asymmetry (2001), 12(17), 2435-2440, database is CAplus.

Palladium-catalyzed asym. allylic alkylation of 1,3-diphenyl-2-propenyl acetate using a di-Me malonate-BSA-LiOAc system has been successfully carried out in the presence of new chiral aminophosphine ligands in good yields with good enantioselectivities (up to 96% e.e.).

Tetrahedron: Asymmetry published new progress about 2944-47-0. 2944-47-0 belongs to ethers-buliding-blocks, auxiliary class Benzene,Ether, name is 2-Isopropylanisole, and the molecular formula is C10H14O, Application of 2-Isopropylanisole.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem

Masuda, Yuichi published the artcileSystematic Analysis of the Relationship among 3D Structure, Bioactivity, and Membrane Permeability of PF1171F, a Cyclic Hexapeptide with Paralyzing Effects on Silkworms, SDS of cas: 77128-73-5, the publication is Journal of Organic Chemistry (2017), 82(21), 11447-11463, database is CAplus and MEDLINE.

PF1171 hexapeptides, a family of cyclic hexapeptides produced by fungi, exhibit paralyzing effects on the larvae of silkworms via oral administration. To elucidate the structural features of PF1171 hexapeptides that are crucial for bioactivity, the relationship among 3D structure, bioactivity, and membrane permeability of PF1171F (the peptide with the highest bioavailability) was systematically analyzed through the synthesis of 22 analogs. The PF1171F analogs were prepared by the solid-phase synthesis of a linear precursor and subsequent solution-phase macrolactamization. Anal. by NMR spectroscopy and mol. modeling indicated that the major 3D conformations of PF1171F in various solvents resemble its x-ray crystal structure. The analogs with this conformation tend to exhibit potent paralysis against silkworms, indicating the significance of the conformation in the paralysis. The biol. activity was dependent on the mode of administration, varying between hemolymph injection and oral administration. Parallel artificial membrane permeability assay (PAMPA) of the analogs revealed a correlation between membrane permeabilities and paralytic activity by hemolymph injection, indicating that the target mol. of PF1171F is present inside the cell membrane.

Journal of Organic Chemistry published new progress about 77128-73-5. 77128-73-5 belongs to ethers-buliding-blocks, auxiliary class Inhibitor, name is (S)-2-((((9H-Fluoren-9-yl)methoxy)carbonyl)(methyl)amino)-3-phenylpropanoic acid, and the molecular formula is C25H23NO4, SDS of cas: 77128-73-5.

Referemce:
https://en.wikipedia.org/wiki/Ether,
Ether | (C2H5)2O – PubChem